(2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol

C12H14FN3O — CID 118031626

IUPAC(2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol
SMILESCc1ncc(C(O)c2ccnc(CF)c2)n1C
InChIInChI=1S/C12H14FN3O/c1-8-15-7-11(16(8)2)12(17)9-3-4-14-10(5-9)6-13/h3-5,7,12,17H,6H2,1-2H3
InChIKeyINKFKKDZSBUIBR-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.67
Rot. Bonds3

About (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol

(2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol (PubChem CID 118031626) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol
PubChem CID118031626
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol
SMILESCc1ncc(C(O)c2ccnc(CF)c2)n1C
InChIInChI=1S/C12H14FN3O/c1-8-15-7-11(16(8)2)12(17)9-3-4-14-10(5-9)6-13/h3-5,7,12,17H,6H2,1-2H3
InChIKeyINKFKKDZSBUIBR-UHFFFAOYSA-N
XLogP1.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol (CID 118031626) is (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol is Cc1ncc(C(O)c2ccnc(CF)c2)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol?
The InChIKey is INKFKKDZSBUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-15-7-11(16(8)2)12(17)9-3-4-14-10(5-9)6-13/h3-5,7,12,17H,6H2,1-2H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol?
(2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol has a molecular weight of 235.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 118031626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).